3-fluoro-N-propylbenzenesulfonamide

C9H12FNO2S — CID 43212857

IUPAC3-fluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C9H12FNO2S/c1-2-6-11-14(12,13)9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3
InChIKeySWRFQXMEJAPANH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.51
Rot. Bonds4

About 3-fluoro-N-propylbenzenesulfonamide

3-fluoro-N-propylbenzenesulfonamide (PubChem CID 43212857) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-fluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-propylbenzenesulfonamide
PubChem CID43212857
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC Name3-fluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C9H12FNO2S/c1-2-6-11-14(12,13)9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3
InChIKeySWRFQXMEJAPANH-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzenesulfonamide
CID 121074810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-propylbenzenesulfonamide (CID 43212857) is 3-fluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-propylbenzenesulfonamide?
The InChIKey is SWRFQXMEJAPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-2-6-11-14(12,13)9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3.
What are the key properties of 3-fluoro-N-propylbenzenesulfonamide?
3-fluoro-N-propylbenzenesulfonamide has a molecular weight of 217.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 43212857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).